smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H]3CO[P@](=O)([O-])O3)c2cc1C ZINC000013513828 560218080 /nfs/dbraw/zinc/21/80/80/560218080.db2.gz CVZKYDYRJQYYDJ-MBNYWOFBSA-N -2 0 438.333 -0.149 1 5 in-vitro IBBFRL